CID 167725119

Rac-(1s,3s)-2,2-dimethyl-3-phenylcyclobutan-1-ol

Structural Information

Molecular Formula
C12H16O
SMILES
CC1([C@@H](C[C@@H]1O)C2=CC=CC=C2)C
InChI
InChI=1S/C12H16O/c1-12(2)10(8-11(12)13)9-6-4-3-5-7-9/h3-7,10-11,13H,8H2,1-2H3/t10-,11-/m0/s1
InChIKey
UZUANIOBIRRNEA-QWRGUYRKSA-N
Compound name
(1S,3S)-2,2-dimethyl-3-phenylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 137.1
[M+Na]+ 199.10934 144.2
[M-H]- 175.11284 143.0
[M+NH4]+ 194.15394 152.6
[M+K]+ 215.08328 144.3
[M+H-H2O]+ 159.11738 127.5
[M+HCOO]- 221.11832 157.8
[M+CH3COO]- 235.13397 183.1
[M+Na-2H]- 197.09479 142.7
[M]+ 176.11957 144.6
[M]- 176.12067 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.